CID 19863012

3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O5
SMILES
C1C(ON=C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H8N2O5/c13-10(14)9-5-7(11-17-9)6-3-1-2-4-8(6)12(15)16/h1-4,9H,5H2,(H,13,14)
InChIKey
YNFNUXHAUWHDHQ-UHFFFAOYSA-N
Compound name
3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.04332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05060 146.6
[M+Na]+ 259.03254 158.4
[M+NH4]+ 254.07714 152.9
[M+K]+ 275.00648 159.4
[M-H]- 235.03604 150.2
[M+Na-2H]- 257.01799 151.5
[M]+ 236.04277 148.9
[M]- 236.04387 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe